SCHEMBL531859

SCHEMBL531859

C[C@H](O)C(Cc1ccccc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MME P08473 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.41
TRPA1 O75762 2/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRK1 P41145 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
CPA3 P15088 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL640803 1.00 HPGD (0.45) HPGDNPC1RAB9AMMEMEN1
SCHEMBL531678 1.00 HPGD (0.45) HPGDNPC1RAB9AMMEMEN1
SCHEMBL532696 1.00 HPGD (0.45) HPGDNPC1RAB9AMMEMEN1
SCHEMBL1594483 0.84 PPARG (0.40) MMEMEN1KMT2ASLC6A2SLC6A4
SCHEMBL1594480 0.84 PPARG (0.40) MMEMEN1KMT2ASLC6A2SLC6A4
SCHEMBL14660173 0.84 TRPA1 (0.40) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL5930180 0.84 HPGD (0.39) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL5930175 0.84 HPGD (0.39) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL16163310 0.84 TRPA1 (0.40) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL21144939 0.83 MAOB (0.43) NPC1RAB9AMEN1KMT2AHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160075724-A1 CETP Inhibitors MERCK SHARP & DOHME (US) 2016-03-17 US disclosed
US-20140221383-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 US disclosed
US-8735435-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-27 US disclosed
EP-1765793-B1 ANACETRAPIB AND OTHER CETP INHIBITPRS MERCK SHARP & DOHME (US) 2012-09-26 EP disclosed
EP-2415759-A1 CETP inhibitors Merck Sharp & Dohme Corporation (US) 2012-02-08 EP disclosed
US-20100099716-A1 CETP INHIBITORS MERCK SHARP & DOHME LLC 2010-04-22 US disclosed
US-20080119476-A1 Cetp Inhibitors ALI AMJAD 2008-05-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140221383-A1 CETP INHIBITORS CETP, APOB, MTTP HPGD 2844/4885NPC1 8/4885RAB9A 4272/4885
US-20080119476-A1 Cetp Inhibitors CETP, APOB, MTTP HPGD 2844/4885NPC1 8/4885RAB9A 4272/4885
US-20100099716-A1 CETP INHIBITORS CETP, APOB, MTTP HPGD 2844/4885NPC1 8/4885RAB9A 4272/4885
US-20160075724-A1 CETP Inhibitors CETP, APOB, MTTP HPGD 2844/4885NPC1 8/4885RAB9A 4272/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.